(3S)-N-methyl-3-quinolin-5-yloxy-3-(1,3-thiazol-2-yl)propan-1-amine

C16H17N3OS — CID 135145266

IUPAC(3S)-N-methyl-3-quinolin-5-yloxy-3-(1,3-thiazol-2-yl)propan-1-amine
SMILESCNCC[C@H](Oc1cccc2ncccc12)c1nccs1
InChIInChI=1S/C16H17N3OS/c1-17-9-7-15(16-19-10-11-21-16)20-14-6-2-5-13-12(14)4-3-8-18-13/h2-6,8,10-11,15,17H,7,9H2,1H3/t15-/m0/s1
InChIKeyBYXCBFNAGGVRKV-HNNXBMFYSA-N
MW299.40 g/mol
LogP3.42
Rot. Bonds6

About (3S)-N-methyl-3-quinolin-5-yloxy-3-(1,3-thiazol-2-yl)propan-1-amine

(3S)-N-methyl-3-quinolin-5-yloxy-3-(1,3-thiazol-2-yl)propan-1-amine (PubChem CID 135145266) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is (3S)-N-methyl-3-quinolin-5-yloxy-3-(1,3-thiazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name(3S)-N-methyl-3-quinolin-5-yloxy-3-(1,3-thiazol-2-yl)propan-1-amine
PubChem CID135145266
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC Name(3S)-N-methyl-3-quinolin-5-yloxy-3-(1,3-thiazol-2-yl)propan-1-amine
SMILESCNCC[C@H](Oc1cccc2ncccc12)c1nccs1
InChIInChI=1S/C16H17N3OS/c1-17-9-7-15(16-19-10-11-21-16)20-14-6-2-5-13-12(14)4-3-8-18-13/h2-6,8,10-11,15,17H,7,9H2,1H3/t15-/m0/s1
InChIKeyBYXCBFNAGGVRKV-HNNXBMFYSA-N
XLogP3.42
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S)-N-methyl-3-quinolin-5-yloxy-3-(1,3-thiazol-2-yl)propan-1-amine with MolForge

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Related Compounds

8-[(2-Chloro-5-thiazolyl)methoxy]quinoline
CID 1488829
(R)-2-(2-(4-(2-ethylthiazol-4-yl)phenoxy)ethylamino)-1-(pyridin-3-yl)ethanol
CID 9947512
(R)-1-(pyridin-3-yl)-2-(2-(4-(2-(pyridin-4-yl)thiazol-4-yl)phenoxy)ethylamino)ethanol
CID 10112744
(R)-2-(2-(4-(2-methylthiazol-4-yl)phenoxy)ethylamino)-1-(pyridin-3-yl)ethanol
CID 10132882
(R)-2-(2-(4-(2-cyclopentylthiazol-4-yl)phenoxy)ethylamino)-1-(pyridin-3-yl)ethanol
CID 10136220
(R)-2-(2-(4-(2-phenylthiazol-4-yl)phenoxy)ethylamino)-1-(pyridin-3-yl)ethanol
CID 10273469
(R)-1-(pyridin-3-yl)-2-(2-(4-(thiazol-4-yl)phenoxy)ethylamino)ethanol
CID 10291064
(1R)-1-(pyridin-3-yl)-2-(2-(4-(2-(pyridin-3-yl)thiazol-4-yl)phenoxy)ethylamino)ethanol
CID 44444378
2-{5-[(2S)-2-amino-3-phenylpropoxy]pyridin-3-yl}-4-(pyridin-4-yl)-1,3-thiazole
CID 23646949
2-{5-[(2S)-2-amino-3-phenylpropoxy]pyridin-3-yl}-4-(pyridin-3-yl)-1,3-thiazole
CID 23646950
US10941138, Example 42
CID 135145287
US10941138, Example 84
CID 135145317

Frequently Asked Questions

What is the IUPAC name of (3S)-N-methyl-3-quinolin-5-yloxy-3-(1,3-thiazol-2-yl)propan-1-amine?
The IUPAC name of (3S)-N-methyl-3-quinolin-5-yloxy-3-(1,3-thiazol-2-yl)propan-1-amine (CID 135145266) is (3S)-N-methyl-3-quinolin-5-yloxy-3-(1,3-thiazol-2-yl)propan-1-amine.
What is the SMILES notation for (3S)-N-methyl-3-quinolin-5-yloxy-3-(1,3-thiazol-2-yl)propan-1-amine?
The canonical SMILES for (3S)-N-methyl-3-quinolin-5-yloxy-3-(1,3-thiazol-2-yl)propan-1-amine is CNCC[C@H](Oc1cccc2ncccc12)c1nccs1.
What is the InChIKey of (3S)-N-methyl-3-quinolin-5-yloxy-3-(1,3-thiazol-2-yl)propan-1-amine?
The InChIKey is BYXCBFNAGGVRKV-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H17N3OS/c1-17-9-7-15(16-19-10-11-21-16)20-14-6-2-5-13-12(14)4-3-8-18-13/h2-6,8,10-11,15,17H,7,9H2,1H3/t15-/m0/s1.
What are the key properties of (3S)-N-methyl-3-quinolin-5-yloxy-3-(1,3-thiazol-2-yl)propan-1-amine?
(3S)-N-methyl-3-quinolin-5-yloxy-3-(1,3-thiazol-2-yl)propan-1-amine has a molecular weight of 299.40 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-methyl-3-quinolin-5-yloxy-3-(1,3-thiazol-2-yl)propan-1-amine is sourced from PubChem (CID 135145266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).